Basic information
- CAS
599201-51-1- Standard SMILES
COc1ccc(-c2nc3cc(-c4ccccc4)ccc3o2)cc1N- InChIKey
ORQCVARUEKAYEL-UHFFFAOYSA-N- Molecular formula
- C20H16N2O2
- Average molar mass
- 316.4 g/mol
- Monoisotopic mass
- 316.12117775
Names & identifiers
- Preferred name
- 2-(3-Amino-4-methoxyphenyl)-5-phenylbenzoxazole
- IUPAC
- 2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)aniline
- English name
- 3'-AMINO-4'-METHOXY-PHENYL-2-(P-PHENYL)-BENZOXAZOLE
- Molecular formula
- C20H16N2O2
- Molecular weight
- 316.35
Names & synonyms
599201-51-13'-Amino-4'-methoxy-phenyl-2-(p-phenyl)-benzoxazole2-(3-Amino-4-methoxyphenyl)-5-phenylbenzoxazole2-methoxy-5-(5-phenyl-1,3-benzoxazol-2-yl)anilineSCHEMBL5834493DTXSID40433550ORQCVARUEKAYEL-UHFFFAOYSA-N3-Amino-4-methoxyphenyl-2-(p-phenyl)benzoxazole2-Methoxy-5-(5-phenyl-2-benzoxazolyl)benzenaMineBenzenamine, 2-methoxy-5-(5-phenyl-2-benzoxazolyl)-
Database identifiers
- CAS
599201-51-1- PubChem CID
- 9973058
- DTXSID
DTXSID40433550
Properties
Computed structural properties
- XLogP
- 4.3
- Topological polar surface area
- 61.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 412
Physicochemical properties
- Boiling point
- 508.4 · 508.4±45.0 °C(Predicted)
- Density
- 1.233 · 1.233±0.06 g/cm3(Predicted)
- pka
- 3.65 · 3.65±0.10(Predicted)
Chemistry & industry
Suppliers4 total
安耐吉化学&3A（安徽泽升科技有限公司）021-58432009 400-005-6266 · [email protected]
凯试(上海)科技有限公司021-50135380 · [email protected]
深圳聚合生化科技有限公司+86-400-002-6226 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
2 records
Compound notes
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